Geometry & MOs

Info

ID:	444792
PubChem CID:	135263549
Reduced:	NCl2P2S2O7C14H23 (1)
Stoich.:	AB2C2D2E7F14G23 (1)
Weight, g/mol:	452.07111
ΔH_f, kcal/mol:	-448.58
Dipole, Da:	5.52
IP(EA), eV:	-9.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(5-bromo-2-methoxyphenyl)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl.C(C(=O)O)NCP(=O)(O)O

DOS

IR

Vibrations